Synthesis · Simultaneous defect passivation and hole mobility enhancement of perovskite solar cells by incorporating anionic metal-organic framework into hole transport materials

5 structured synthesis routes

Completeness describes how fully the route could be reconstructed from the main article and supporting information.

Vague recipeSource: SI

Route 1: Unknown

9 · Figure S12 caption · Fig. S12a,b

Metal precursorsIn source shown schematically as In; exact salt not reported in local SI

Linker precursors4,4',4'',4'''-(1,4-phenylenbis(pyridine-4,2,6-triyl))-tetrabenzoic acid (H4L), same ligand as FJU-17

Solventsnot reported in local SI

AdditivesNO3- counterions reported; exact nitrate source not specified in local SI

Atmospherenot reported

Temperaturenot reported

Timenot reported

Work-upnot reported

Activationnot reported

Show 3 structured reagent records

Role	Reagent	Amount / concentration	Source
Metal Source	In	Not specified	9 · Figure S12 caption · Fig. S12a,b
Linker	H4L	Not specified	9 · Figure S12 caption · Fig. S12a,b
Other	NO3- counterion	Not specified	9 · Figure S12 caption · Fig. S12a,b

Partial recipeSource: Main

Route 2: Solvothermal

3 · 2.2. Synthesis of FJU-17

Metal precursorsIn(NO3)3.xH2O (6.1 mg, 0.0205 mmol)

Linker precursorsH4L (10 mg, 0.0143 mmol)

SolventsDMF (1 mL); HNO3 solution in DMF; chlorobenzene for solvent exchange

AdditivesHNO3 (0.20 mL, 2.7 M in DMF)

Atmospherenot specified

Temperature80

Time4

Work-upcooled to room temperature; precipitate washed and dried at room temperature

Activationsolvent exchange with chlorobenzene

Show 5 structured reagent records

Role	Reagent	Amount / concentration	Source
Metal Source	In(NO3)3.xH2O	6.1 mg, 0.0205 mmol	3 · 2.2. Synthesis of FJU-17
Linker	H4L	10 mg, 0.0143 mmol	3 · 2.2. Synthesis of FJU-17
Solvent	DMF	1 mL	3 · 2.2. Synthesis of FJU-17
Acid	HNO3 in DMF	0.20 mL · 2.7 M	3 · 2.2. Synthesis of FJU-17
Solvent	chlorobenzene	Not specified	3 · 2.2. Synthesis of FJU-17

Partial recipeSource: Main

Route 3: Other

3 · 2.3. Device fabrication

Metal precursorsFJU-17 MOF component

Linker precursorsFJU-17 MOF component

Solventspristine HTM solution solvent not fully specified; acetonitrile present in Li-TFSI stock

AdditivesFJU-17 (0.25, 0.5, 1, or 2 mg)

Atmospherenot specified

Oxidant / reductantambient oxygen implicated in spiro-OMeTAD oxidation mechanism

Work-upFJU-17 added into pristine HTM to form mixture solution; spin-coated as HTM layer

Scalability contextAuthors note MOF addition may increase fabrication process complexity and cost.

Show 2 structured reagent records

Role	Reagent	Amount / concentration	Source
Additive	FJU-17	0.25 mg, 0.5 mg, 1 mg, 2 mg	3 · 2.3. Device fabrication
Other	pristine HTM solution	Not specified	3 · 2.3. Device fabrication

Partial recipeSource: Main

Route 4: Other

3 · 2.3. Device fabrication

Solventsacetonitrile for Li-TFSI stock; chlorobenzene used during perovskite anti-solvent step

AdditivesTBP; Li-TFSI

Atmospherenot specified

Work-upHTM deposited by spin coating at 4000 rpm for 30 s and heated again

Show 3 structured reagent records

Role	Reagent	Amount / concentration	Source
Other	Spiro-OMeTAD	72.9 mg	3 · 2.3. Device fabrication
Additive	4-Tert-butylpyridine (TBP)	29 uL	3 · 2.3. Device fabrication
Additive	lithium bis(trifluroromethanesulfonyl)imide in acetonitrile	17.5 uL solution · 520 mg in 1 mL acetonitrile	3 · 2.3. Device fabrication

Partial recipeSource: Main

Route 5: Other

3 · 2.3. Device fabrication

Metal precursorsPbI2; titanium tetraisopropanolate; TiO2 paste; Ag cathode

SolventsDMF/DMSO (4:1); isopropanol; chlorobenzene; acetone; ethanol; deionised water

AdditivesCH3NH3I; HTM-FJU-17

AtmosphereTiO2 annealing in air; other steps not specified

Temperature450 for compact TiO2 anneal; 550 for mesoporous TiO2 anneal; 100 for perovskite anneal

Time0.5 for each TiO2 anneal; 0.167 for perovskite anneal

Substrate orientationFTO substrate

Work-upsequential cleaning, spin coating, annealing, HTM spin coating, Ag thermal evaporation

Scalability contextAuthors state further work is needed to improve HTM properties and simplify device fabrication.

Show 6 structured reagent records

Role	Reagent	Amount / concentration	Source
Metal Source	PbI2	461 mg	3 · 2.3. Device fabrication
Other	CH3NH3I	159 mg	3 · 2.3. Device fabrication
Solvent	DMF/DMSO	1 mL · volume ratio 4:1	3 · 2.3. Device fabrication
Metal Source	titanium tetraisopropanolate in isopropanol	0.15 M	3 · 2.3. Device fabrication
Other	TiO2 paste (Dyesol DSL 18NR-T) in isopropanol	1:8 mass ratio	3 · 2.3. Device fabrication
Other	Ag	Not specified	3 · 2.3. Device fabrication